5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

C72H40N8S4 — CID 88950430

IUPAC5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILESC1=Cc2c(sc3ccc(-c4nc(-c5ccc6sc7ccccc7c6c5)nc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7nc(-c8ccc9sc%10ccccc%10c9c8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)c56)n4)cc23)CC1
InChIInChI=1S/C72H40N8S4/c1-7-19-54-43(13-1)48-29-30-56-65(66(48)80(54)72-77-69(41-27-33-63-52(37-41)46-16-5-11-23-59(46)83-63)74-70(78-72)42-28-34-64-53(38-42)47-17-6-12-24-60(47)84-64)49-18-2-8-20-55(49)79(56)71-75-67(39-25-31-61-50(35-39)44-14-3-9-21-57(44)81-61)73-68(76-71)40-26-32-62-51(36-40)45-15-4-10-22-58(45)82-62/h1-9,11-21,23-38H,10,22H2
InChIKeyZDAFZHXTZLCNSA-UHFFFAOYSA-N
MW1145.44 g/mol
LogP20.20
Rot. Bonds6

About 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (PubChem CID 88950430) has the molecular formula C72H40N8S4 and a molecular weight of 1145.44 g/mol. Its IUPAC name is 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
PubChem CID88950430
Molecular FormulaC72H40N8S4
Molecular Weight1145.44 g/mol
Exact Mass1144.23
IUPAC Name5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILESC1=Cc2c(sc3ccc(-c4nc(-c5ccc6sc7ccccc7c6c5)nc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7nc(-c8ccc9sc%10ccccc%10c9c8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)c56)n4)cc23)CC1
InChIInChI=1S/C72H40N8S4/c1-7-19-54-43(13-1)48-29-30-56-65(66(48)80(54)72-77-69(41-27-33-63-52(37-41)46-16-5-11-23-59(46)83-63)74-70(78-72)42-28-34-64-53(38-42)47-17-6-12-24-60(47)84-64)49-18-2-8-20-55(49)79(56)71-75-67(39-25-31-61-50(35-39)44-14-3-9-21-57(44)81-61)73-68(76-71)40-26-32-62-51(36-40)45-15-4-10-22-58(45)82-62/h1-9,11-21,23-38H,10,22H2
InChIKeyZDAFZHXTZLCNSA-UHFFFAOYSA-N
XLogP20.20
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001145.44
LogP ≤ 520.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (CID 88950430) is 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is C1=Cc2c(sc3ccc(-c4nc(-c5ccc6sc7ccccc7c6c5)nc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7nc(-c8ccc9sc%10ccccc%10c9c8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)c56)n4)cc23)CC1.
What is the InChIKey of 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The InChIKey is ZDAFZHXTZLCNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H40N8S4/c1-7-19-54-43(13-1)48-29-30-56-65(66(48)80(54)72-77-69(41-27-33-63-52(37-41)46-16-5-11-23-59(46)83-63)74-70(78-72)42-28-34-64-53(38-42)47-17-6-12-24-60(47)84-64)49-18-2-8-20-55(49)79(56)71-75-67(39-25-31-61-50(35-39)44-14-3-9-21-57(44)81-61)73-68(76-71)40-26-32-62-51(36-40)45-15-4-10-22-58(45)82-62/h1-9,11-21,23-38H,10,22H2.
What are the key properties of 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole has a molecular weight of 1145.44 g/mol, XLogP of 20.20, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 88950430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).